SCHEMBL7496505

SCHEMBL7496505

CCON=C(C=NOC(C)c1ccccc1C(=COC)C(=O)OC)c1ccc(OCc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.43
NR4A2 P43354 2/20 0.42
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
ADCYAP1R1 P41586 1/20 0.39
ADAMTS4 O75173 1/20 0.39
MMP13 P45452 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HIF1A Q16665 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7493123 0.94 MAOB (0.41) MAOBNR4A2SPHK2SPHK1ADCYAP1R1
SCHEMBL7497710 0.94 MAOB (0.41) MAOBNR4A2SPHK2SPHK1ADCYAP1R1
SCHEMBL7736860 0.92 MAOB (0.39) MAOBSPHK2SPHK1ADAMTS4MMP13
SCHEMBL7736851 0.92 MAOB (0.41) MAOBNR4A2SPHK2SPHK1ADCYAP1R1
SCHEMBL8441800 0.90 MAPK14 (0.37) HIF1A
SCHEMBL7741762 0.87 HDAC1 (0.37) MAOBNR4A2ADAMTS4MMP13MAPT
SCHEMBL7742973 0.86 NPC1 (0.39) MAOBNR4A2MAPTHTTL3MBTL1
SCHEMBL8542661 0.86 MAOB (0.40) MAOBNR4A2SPHK2SPHK1ADCYAP1R1
SCHEMBL7736872 0.85 HIF1A (0.43) MAOBSPHK2SPHK1ADAMTS4MMP13
SCHEMBL7500162 0.84 HIF1A (0.36) HTTHIF1AFFAR1FFAR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420423-B1 PESTICIDE FOR USE ON CEREALS, BEETS, FRUITS, BERRIES, AND BEANS; KILLS MITES, INSECTS, TERMITES, LICE, FLEAS, AND FUNGUS; TOLERATED WELL BE ANIMALS, PLANTS, AND FISH BAYER AKTIENGESELLSCHAFT (DE) 2002-07-16 US disclosed
EP-1207152-A2 Pesticides Bayer Aktiengesellschaft (DE) 2002-05-22 EP disclosed
US-5985921-A OXIDATION AND HYDROGENATION OF COMPOUNDS TO FORM INSECTICIDES AS AGROCHEMICALS NOVARTIS CORPORATION (US) 1999-11-16 US disclosed